Chemical Components in the PDB

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AA : Summary

Code

AA

One-letter code

X

Molecule name

9-AMINOACRIDINE

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.5.0 acridin-10-ium-9-amine

Formula

C13 H11 N2

Formal charge

1

Molecular weight

195.24 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 2.87 Nc1c2ccccc2[nH+]c3ccccc13
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c3ccccc3[nH+]2)N
Canonical SMILES CACTVS 2.87 Nc1c2ccccc2[nH+]c3ccccc13
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c3ccccc3[nH+]2)N

IUPAC InChI

InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)/p+1

IUPAC InChI key

XJGFWWJLMVZSIG-UHFFFAOYSA-O
AA

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-10-28

Status

Released

Obsoleted

Not Assigned